SCHEMBL8051998

SCHEMBL8051998

O=C(CF)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.66
▸ CCNB1 P14635 1/20 0.66
▸ LDHA P00338 1/20 0.47
▸ EPHX2 P34913 4/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ PRKD3 O94806 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ PRKCB P05771 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ PRKCH P24723 1/20 0.39
▸ PRKCI P41743 1/20 0.39
▸ PRKCE Q02156 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ PRKCZ Q05513 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ PRKD1 Q15139 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ADORA1 P30542 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9621529 0.91 CDK1 (0.69) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL3131927 0.91 CDK1 (0.69) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL9241386 0.89 CDK1 (0.66) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL9621810 0.89 CDK1 (0.66) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL8649826 0.89 CDK1 (0.66) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL8050591 0.89 CDK1 (0.66) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL14190891 0.89 CDK1 (0.66) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL13917330 0.89 CDK1 (0.66) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL1879409 0.89 CDK1 (0.66) CDK1CCNB1LDHAEPHX2CA2
SCHEMBL3134207 0.88 CDK1 (0.72) CDK1CCNB1LDHAEPHX2CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610063-B1 Regioselective enzymatic deacylation of sucrose esters in anhydrous organic media MCNEIL PPC INC (US) 2000-05-03 — — EP claimed
US-5445951-A Regioselective enzymatic deacylation of sucrose esters in anhydrous organic media MCNEIL-PPC, INC. (US) 1995-08-29 — — US claimed
EP-0610063-A2 Regioselective enzymatic deacylation of sucrose esters in anhydrous organic media McNEIL-PPC, INC. (US) 1994-08-10 — — EP claimed
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